ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011419
RECORD_TITLE: 5ALPHA-ANDROSTANE-3,17-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 5ALPHA-ANDROSTANE-3,17-DIONE
CH$NAME: ANDROSTADIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
CH$LINK: INCHIKEY RAJWOBJTTGJROA-WZNAKSSCSA-N
CH$LINK: COMPTOX DTXSID80233576

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-2790000000-3265da77fd4cc7bfa1c9
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  43 1.42 14
  55 4.01 40
  67 4.68 47
  68 2.97 30
  69 2.31 23
  79 2.73 27
  80 1.23 12
  81 8.33 83
  82 3.31 33
  83 2.35 24
  91 1.46 15
  93 7.61 76
  94 2.95 30
  95 8.16 82
  96 2.29 23
  97 17.01 170
  98 1.76 18
  105 4.99 50
  106 2.9 29
  107 8.17 82
  108 9.88 99
  109 15.66 157
  110 12.22 122
  111 5.2 52
  118 1.9 19
  119 5.42 54
  120 4.96 50
  121 10.98 110
  122 8.48 85
  123 9.61 96
  124 24.28 243
  125 3.39 34
  131 2.82 28
  132 1.52 15
  133 4.93 49
  134 4.61 46
  135 7.57 76
  136 4.5 45
  137 4.22 42
  138 1.62 16
  143 1.17 12
  144 1.11 11
  145 3.82 38
  146 3.33 33
  147 10.11 101
  148 3.28 33
  149 4.32 43
  150 1.37 14
  151 2.87 29
  157 1.86 19
  158 1.67 17
  159 5.11 51
  160 4.68 47
  161 7.18 72
  162 3.98 40
  163 8.56 86
  164 4.61 46
  165 3.5 35
  171 2.82 28
  172 1.62 16
  173 3.7 37
  174 4.4 44
  175 5.82 58
  176 3.14 31
  177 1.99 20
  178 1.03 10
  179 1.1 11
  185 1.27 13
  186 1.24 12
  187 3.1 31
  188 2.38 24
  189 3.31 33
  190 2.2 22
  191 1.06 11
  192 1.27 13
  197 1.83 18
  199 5.09 51
  200 1.41 14
  201 1.67 17
  203 1.84 18
  204 2.07 21
  211 2.53 25
  212 1.41 14
  213 4.35 44
  214 1.63 16
  215 3.11 31
  216 7.41 74
  217 36.41 364
  218 7.41 74
  219 1.13 11
  228 1.12 11
  229 18.08 181
  230 4.33 43
  231 13.49 135
  232 12.07 121
  233 3.02 30
  244 39.91 399
  245 8.96 90
  246 3.46 35
  255 2.53 25
  270 1.66 17
  273 10.11 101
  274 2.26 23
  288 99.99 999
  289 20.61 206
  290 2.61 26
//